5,5-dimethyl-3-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indeno[1,2-c]pyridine

C41H28N4O — CID 118650889

IUPAC5,5-dimethyl-3-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indeno[1,2-c]pyridine
SMILESCC1(C)c2ccccc2-c2cnc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)n3)cc21
InChIInChI=1S/C41H28N4O/c1-41(2)33-22-10-9-17-28(33)32-24-42-35(23-34(32)41)40-44-38(26-15-7-4-8-16-26)43-39(45-40)31-21-12-20-30-29-19-11-18-27(36(29)46-37(30)31)25-13-5-3-6-14-25/h3-24H,1-2H3
InChIKeyVXGKAVQKBZPKHO-UHFFFAOYSA-N
MW592.70 g/mol
LogP10.14
Rot. Bonds4

About 5,5-dimethyl-3-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indeno[1,2-c]pyridine

5,5-dimethyl-3-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indeno[1,2-c]pyridine (PubChem CID 118650889) has the molecular formula C41H28N4O and a molecular weight of 592.70 g/mol. Its IUPAC name is 5,5-dimethyl-3-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indeno[1,2-c]pyridine.

Molecular Properties

Compound Name5,5-dimethyl-3-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indeno[1,2-c]pyridine
PubChem CID118650889
Molecular FormulaC41H28N4O
Molecular Weight592.70 g/mol
Exact Mass592.23
IUPAC Name5,5-dimethyl-3-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indeno[1,2-c]pyridine
SMILESCC1(C)c2ccccc2-c2cnc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)n3)cc21
InChIInChI=1S/C41H28N4O/c1-41(2)33-22-10-9-17-28(33)32-24-42-35(23-34(32)41)40-44-38(26-15-7-4-8-16-26)43-39(45-40)31-21-12-20-30-29-19-11-18-27(36(29)46-37(30)31)25-13-5-3-6-14-25/h3-24H,1-2H3
InChIKeyVXGKAVQKBZPKHO-UHFFFAOYSA-N
XLogP10.14
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.70
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651128
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 130233245
2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244824
2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166953318
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
2-dibenzofuran-4-yl-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614151
2-(9,9-dimethylfluoren-2-yl)-4-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651225
2-dibenzofuran-4-yl-4-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166025643
2-(9,9-dimethylfluoren-2-yl)-4-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-yl]-6-phenyl-1,3,5-triazine
CID 164707853
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159465808
4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 140907204

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indeno[1,2-c]pyridine?
The IUPAC name of 5,5-dimethyl-3-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indeno[1,2-c]pyridine (CID 118650889) is 5,5-dimethyl-3-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indeno[1,2-c]pyridine.
What is the SMILES notation for 5,5-dimethyl-3-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indeno[1,2-c]pyridine?
The canonical SMILES for 5,5-dimethyl-3-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indeno[1,2-c]pyridine is CC1(C)c2ccccc2-c2cnc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)n3)cc21.
What is the InChIKey of 5,5-dimethyl-3-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indeno[1,2-c]pyridine?
The InChIKey is VXGKAVQKBZPKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4O/c1-41(2)33-22-10-9-17-28(33)32-24-42-35(23-34(32)41)40-44-38(26-15-7-4-8-16-26)43-39(45-40)31-21-12-20-30-29-19-11-18-27(36(29)46-37(30)31)25-13-5-3-6-14-25/h3-24H,1-2H3.
What are the key properties of 5,5-dimethyl-3-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indeno[1,2-c]pyridine?
5,5-dimethyl-3-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indeno[1,2-c]pyridine has a molecular weight of 592.70 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indeno[1,2-c]pyridine is sourced from PubChem (CID 118650889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).